N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide

C16H17BrN2O — CID 107578496

IUPACN-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-5-15(18-3)14(8-10)16(20)19-13-7-11(2)6-12(17)9-13/h4-9,18H,1-3H3,(H,19,20)
InChIKeyXIJMQZXCRZZEIM-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.36
Rot. Bonds3

About N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide

N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide (PubChem CID 107578496) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
PubChem CID107578496
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC NameN-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
SMILESCNc1ccc(C)cc1C(=O)Nc1cc(C)cc(Br)c1
InChIInChI=1S/C16H17BrN2O/c1-10-4-5-15(18-3)14(8-10)16(20)19-13-7-11(2)6-12(17)9-13/h4-9,18H,1-3H3,(H,19,20)
InChIKeyXIJMQZXCRZZEIM-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-chloro-2-(methylamino)benzamide
CID 107578575
N-(3-fluoro-5-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 79046553
N-(4-bromo-2,6-dimethylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62510325
N-(3-bromo-5-methylphenyl)-2-fluoro-4-methylbenzamide
CID 107582986
N-(4-bromo-2,6-dichlorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62511408
N-(4-bromo-2-methylphenyl)-5-methyl-2-(methylamino)benzamide
CID 62509130
5-chloro-N-(3,5-dimethylphenyl)-2-(methylamino)benzamide
CID 62165706
N-(2-bromo-4-fluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62509154
N-(3,5-dimethylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 24531986
N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
CID 107578576
5-methyl-2-(methylamino)-N-(2,4,5-trifluorophenyl)benzamide
CID 62809031
N-(2-bromo-4,6-difluorophenyl)-5-methyl-2-(methylamino)benzamide
CID 62510189

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide (CID 107578496) is N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide is CNc1ccc(C)cc1C(=O)Nc1cc(C)cc(Br)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide?
The InChIKey is XIJMQZXCRZZEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-10-4-5-15(18-3)14(8-10)16(20)19-13-7-11(2)6-12(17)9-13/h4-9,18H,1-3H3,(H,19,20).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide?
N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide has a molecular weight of 333.23 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 107578496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).